L-Cystine, hydrochloride (1:?)

C₆H₁₃ClN₂O₄S₂CAS 34760-60-6276.75 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide Primary amine

Properties

Molecular formula: C₆H₁₃ClN₂O₄S₂
Molar mass: 276.75 g/mol
Exact mass: 276.0005 Da
Density: 1.52 g/mL
logP: -0.39Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

34760-60-6

SMILES

Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O

InChIKey

IOCJWNPYGRVHLN-MMALYQPHSA-N

InChI

InChI=1S/C6H12N2O4S2.ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);1H/t3-,4-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names

L-Cystine, hydrochloride

Work with L-Cystine, hydrochloride (1:?)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cystine56-89-3Free base 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-0Free base, stereo not defined D-Cystine349-46-2Free base, enantiomer Cystine dihydrochloride30925-07-6Salt

Similar compounds

DL-Lanthionine3183-08-267 % similar S-Methylcysteine1187-84-466 % similar S-tert-Butyl-L-cysteine hydrochloride2481-09-664 % similar (S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-962 % similar Djenkolic acid498-59-962 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-562 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-962 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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